Vitas-M small molecule compound
1-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4,8-dimethyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK531665
SMILES CC1CCc2c(C1)sc1c2c(=O)n(c2n1c(SCC(=O)c1ccc(cc1)Cl)nn2)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H19ClN4O2S2 MW 458.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S2/c1-11-3-8-14-16(9-11)30-19-17(14)18(28)25(2)20-23-24-21(26(19)20)29-10-15(27)12-4-6-13(22)7-5-12/h4-7,11H,3,8-10H2,1-2H3InChIKey
OXQOAGXFKAIORO-UHFFFAOYSA-NSynonyms
1((2(4chlorophenyl)2oxoethyl)sulfanyl)48dimethyl6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4chlorophenyl)2oxoethyl)thio)48dimethyl6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=C(C=C5)Cl)C
InChI=1SC21H19ClN4O2S2c111381416(911)301917(14)18(28)25(2)20232421(26(19)20)291015(27)124613(22)7512h4711H3810H212H3
MFCD02240921
ZINC000002298617
ZINC000002298618
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